(1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine

C24H36NP — CID 72701790

IUPAC(1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine
SMILESCC(C)CP(CC(C)C)N([C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C24H36NP/c1-19(2)17-26(18-20(3)4)25(21(5)23-13-9-7-10-14-23)22(6)24-15-11-8-12-16-24/h7-16,19-22H,17-18H2,1-6H3/t21-,22-/m0/s1
InChIKeyVAYJSLVYLDMZAE-VXKWHMMOSA-N
MW369.53 g/mol
LogP7.52
Rot. Bonds9

About (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine

(1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine (PubChem CID 72701790) has the molecular formula C24H36NP and a molecular weight of 369.53 g/mol. Its IUPAC name is (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine
PubChem CID72701790
Molecular FormulaC24H36NP
Molecular Weight369.53 g/mol
Exact Mass369.26
IUPAC Name(1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine
SMILESCC(C)CP(CC(C)C)N([C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C24H36NP/c1-19(2)17-26(18-20(3)4)25(21(5)23-13-9-7-10-14-23)22(6)24-15-11-8-12-16-24/h7-16,19-22H,17-18H2,1-6H3/t21-,22-/m0/s1
InChIKeyVAYJSLVYLDMZAE-VXKWHMMOSA-N
XLogP7.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
CID 72701934
N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140
(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
CID 22215677
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
N-ethyl-N-methylsulfanyl-1-phenylethanamine
CID 123514659
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine?
The IUPAC name of (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine (CID 72701790) is (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine.
What is the SMILES notation for (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine?
The canonical SMILES for (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine is CC(C)CP(CC(C)C)N([C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine?
The InChIKey is VAYJSLVYLDMZAE-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H36NP/c1-19(2)17-26(18-20(3)4)25(21(5)23-13-9-7-10-14-23)22(6)24-15-11-8-12-16-24/h7-16,19-22H,17-18H2,1-6H3/t21-,22-/m0/s1.
What are the key properties of (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine?
(1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine has a molecular weight of 369.53 g/mol, XLogP of 7.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[bis(2-methylpropyl)phosphanyl]-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine is sourced from PubChem (CID 72701790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).